N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine

C60H43NS — CID 177098702

IUPACN-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)cc32)cc1
InChIInChI=1S/C60H43NS/c1-40-24-28-45(29-25-40)60(46-30-26-41(2)27-31-46)53-21-11-9-19-49(53)51-34-32-48(39-56(51)60)61(57-23-13-14-42-36-37-62-58(42)57)47-33-35-55-52(38-47)50-20-10-12-22-54(50)59(55,43-15-5-3-6-16-43)44-17-7-4-8-18-44/h3-39H,1-2H3
InChIKeyFTGDQKIDBKFMRI-UHFFFAOYSA-N
MW810.08 g/mol
LogP15.71
Rot. Bonds7

About N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine

N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine (PubChem CID 177098702) has the molecular formula C60H43NS and a molecular weight of 810.08 g/mol. Its IUPAC name is N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
PubChem CID177098702
Molecular FormulaC60H43NS
Molecular Weight810.08 g/mol
Exact Mass809.31
IUPAC NameN-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)cc32)cc1
InChIInChI=1S/C60H43NS/c1-40-24-28-45(29-25-40)60(46-30-26-41(2)27-31-46)53-21-11-9-19-49(53)51-34-32-48(39-56(51)60)61(57-23-13-14-42-36-37-62-58(42)57)47-33-35-55-52(38-47)50-20-10-12-22-54(50)59(55,43-15-5-3-6-16-43)44-17-7-4-8-18-44/h3-39H,1-2H3
InChIKeyFTGDQKIDBKFMRI-UHFFFAOYSA-N
XLogP15.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.08
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177099122
N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177099018
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine
CID 177098864
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099024
N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine
CID 177098967
N-[6-(1-benzothiophen-5-yl)naphthalen-2-yl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099071
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
N-[4-[4-(N-(9,9-diphenylfluoren-3-yl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 158813268
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The IUPAC name of N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine (CID 177098702) is N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine.
What is the SMILES notation for N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The canonical SMILES for N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)cc32)cc1.
What is the InChIKey of N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The InChIKey is FTGDQKIDBKFMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NS/c1-40-24-28-45(29-25-40)60(46-30-26-41(2)27-31-46)53-21-11-9-19-49(53)51-34-32-48(39-56(51)60)61(57-23-13-14-42-36-37-62-58(42)57)47-33-35-55-52(38-47)50-20-10-12-22-54(50)59(55,43-15-5-3-6-16-43)44-17-7-4-8-18-44/h3-39H,1-2H3.
What are the key properties of N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine has a molecular weight of 810.08 g/mol, XLogP of 15.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine is sourced from PubChem (CID 177098702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).